2-chloro-5-methyl-4-propoxypyrimidine

C8H11ClN2O — CID 79076637

IUPAC2-chloro-5-methyl-4-propoxypyrimidine
SMILESCCCOc1nc(Cl)ncc1C
InChIInChI=1S/C8H11ClN2O/c1-3-4-12-7-6(2)5-10-8(9)11-7/h5H,3-4H2,1-2H3
InChIKeyRPGHXFJHDUFIDA-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.23
Rot. Bonds3

About 2-chloro-5-methyl-4-propoxypyrimidine

2-chloro-5-methyl-4-propoxypyrimidine (PubChem CID 79076637) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-propoxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-propoxypyrimidine
PubChem CID79076637
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2-chloro-5-methyl-4-propoxypyrimidine
SMILESCCCOc1nc(Cl)ncc1C
InChIInChI=1S/C8H11ClN2O/c1-3-4-12-7-6(2)5-10-8(9)11-7/h5H,3-4H2,1-2H3
InChIKeyRPGHXFJHDUFIDA-UHFFFAOYSA-N
XLogP2.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-propoxypyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-propoxypyrimidine (CID 79076637) is 2-chloro-5-methyl-4-propoxypyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-propoxypyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-propoxypyrimidine is CCCOc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-5-methyl-4-propoxypyrimidine?
The InChIKey is RPGHXFJHDUFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-3-4-12-7-6(2)5-10-8(9)11-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-propoxypyrimidine?
2-chloro-5-methyl-4-propoxypyrimidine has a molecular weight of 186.64 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-propoxypyrimidine is sourced from PubChem (CID 79076637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).